2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol

C16H35NO4 — CID 87981281

IUPAC2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol
SMILESCCCCCCCC(N)(C(C)OCCO)C(C)OCCO
InChIInChI=1S/C16H35NO4/c1-4-5-6-7-8-9-16(17,14(2)20-12-10-18)15(3)21-13-11-19/h14-15,18-19H,4-13,17H2,1-3H3
InChIKeyCNBYXALDUGQCIY-UHFFFAOYSA-N
MW305.46 g/mol
LogP1.84
Rot. Bonds14

About 2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol

2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol (PubChem CID 87981281) has the molecular formula C16H35NO4 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol
PubChem CID87981281
Molecular FormulaC16H35NO4
Molecular Weight305.46 g/mol
Exact Mass305.26
IUPAC Name2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol
SMILESCCCCCCCC(N)(C(C)OCCO)C(C)OCCO
InChIInChI=1S/C16H35NO4/c1-4-5-6-7-8-9-16(17,14(2)20-12-10-18)15(3)21-13-11-19/h14-15,18-19H,4-13,17H2,1-3H3
InChIKeyCNBYXALDUGQCIY-UHFFFAOYSA-N
XLogP1.84
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-aminotridecan-7-yloxy)ethanol
CID 173251494
2-[3-amino-3-[2-(2-hydroxyethoxy)ethyl]icosoxy]ethanol
CID 57295459
3-amino-2,3-dimethylhenicosan-1-ol
CID 87131556
2-(2-bromoethoxy)-3-methylnonadecan-3-amine;hydrobromide
CID 173358228
2-docosan-10-yloxyethanol
CID 173141834
2,2-dimethyl-3-octoxybutan-1-ol
CID 18961352
2-(2,3-dimethyloctan-3-yloxy)ethanol
CID 142712610
2-[(2S)-3-(2-methyltridecan-2-ylamino)hexan-2-yl]oxyethanol
CID 91432934
2-(1-butoxyethoxy)ethanol;pentan-1-ol
CID 88518213
2-(1-aminohexoxy)ethanol
CID 87099968
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
3-heptadecyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 87979521

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol?
The IUPAC name of 2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol (CID 87981281) is 2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol.
What is the SMILES notation for 2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol?
The canonical SMILES for 2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol is CCCCCCCC(N)(C(C)OCCO)C(C)OCCO.
What is the InChIKey of 2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol?
The InChIKey is CNBYXALDUGQCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4/c1-4-5-6-7-8-9-16(17,14(2)20-12-10-18)15(3)21-13-11-19/h14-15,18-19H,4-13,17H2,1-3H3.
What are the key properties of 2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol?
2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol has a molecular weight of 305.46 g/mol, XLogP of 1.84, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-3-[1-(2-hydroxyethoxy)ethyl]decan-2-yl]oxyethanol is sourced from PubChem (CID 87981281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).